pyrazol-1-ylmethyl 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: pyrazol-1-ylmethyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: pyrazol-1-ylmethyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid 1-pyrazolylmethyl ester IUPAC Name: pyrazol-1-ylmethyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid pyrazol-1-ylmethyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCN2C=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCN2C=CC=N2

InChI

InChI=1S/C19H26N2O3/c1-18(2,3)14-10-13(11-15(16(14)22)19(4,5)6)17(23)24-12-21-9-7-8-20-21/h7-11,22H,12H2,1-6H3